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2019-08-22Tidy up comparison function definitionsThomas White
Especially, remove the last ltl/atl tolerance values.
2019-08-16Clarify cell vs reference in comparison functions. Also reindexed vs permutedThomas White
2019-08-16compare_cell_parameters and compare_reindexed_cell_parameters: Accept 6 ↵Thomas White
tolerances
2019-08-16indexamajig: Accept six values for unit cell toleranceThomas White
2019-08-01hdfsee: Fix 0.5 Angstrom resolution ringThomas White
2019-07-30Spectrum: Define Gaussian using area, not heightThomas White
2019-07-29Formatting/commentsThomas White
2019-07-24indexamajig: Free spectrum if it was generated for this imageThomas White
2019-07-24indexamajig: Set Gaussian spectrum if one is not providedThomas White
2019-07-22ambigator: Use three pre-defined resolution bins if no resolution limits are ↵Thomas White
given
2019-07-17zmq: Remove reference to image.num_peaksThomas White
See 636eb6116961296791bae35c40fd9438aa946827
2019-07-17Merge branch 'tom/zmq'Thomas White
2019-07-17partialator: Add "offset" model (Ewald sphere offset assuming monochromatic ↵Thomas White
beam)
2019-07-17partialator: Allow refinement of any partiality modelThomas White
2019-07-17Don't repeat scaling when refiningThomas White
This seems to be a major cause of "going off the rails", and the surfaces look reasonable (in fact, better) without it. Plus, if the user says --no-scale, there should be no scaling at all.
2019-07-17partialator: Use Spectrum APIThomas White
2019-07-17Comment out debugThomas White
2019-07-17Really Simple MinimiserThomas White
2019-07-17Fix grid scan boundaries to put plot-pr-contourmap's red dot in the right placeThomas White
2019-07-17Improve column headings in logsThomas White
2019-07-17Don't re-scale when calculating FoM during PRThomas White
2019-07-17Modify residual some moreThomas White
2019-07-17Modify residual to give clearer minimum, particularly as function of profile ↵Thomas White
radius
2019-07-17partialator: WIP on new minimiserThomas White
2019-07-17partialator: Only strong reflections in specgraph, and remove resolution ↵Thomas White
limit for pgraph Rationale for pgraph: the viewer already has a resolution selector.
2019-07-17partial_sim: Use Spectrum APIThomas White
2019-07-17Weight reflections according to how much they need to be scaled upThomas White
2019-07-17Allow correct_reflection() to correct anything, not just intensitiesThomas White
2019-07-16hdfsee: Disallow changing image if geometry file was givenThomas White
2019-07-16Tidy upThomas White
2019-07-16hdfsee: Get rid of "multi_event"Thomas White
2019-07-16hdfsee: Factorise setting of window titleThomas White
2019-07-16hdfsee: Get rid of "simple"Thomas White
2019-07-16hdfsee: Show HDF5 menu tree event for multi-event filesThomas White
2019-07-05FormattingThomas White
2019-07-05geoptimiser: Use geometry from stream, if presentThomas White
Simply omit the -g option to use geometry from stream.
2019-06-25partial_sim: Add --template-streamThomas White
2019-06-25partial_sim: Add missing initialisationsThomas White
2019-06-21partialator: Be more verbose about minimisation failuresThomas White
2019-06-21FormattingThomas White
About the comment: yes, it is. temp2 (T) has already been de-logged by this point.
2019-06-21partialator: Add --force-lambdaThomas White
2019-06-21Actually prevent the use of free-flagged reflections in refinementThomas White
Since we are now using residual() in a numerical minimisation, it's important that it uses either only free-flagged reflections, or only non-free-flagged ones.
2019-06-21partialator: Progress bar for logs/grid scansThomas White
2019-06-19partialator: With --no-free, still show non-free residuals for crystals with ↵Thomas White
too few free reflections
2019-06-19Add missing newlineThomas White
2019-06-19pattern_sim: Fix uninitialised valueThomas White
2019-06-05partialator: Parallelise deltaCChalf calculationThomas White
2019-06-04cell_explorer: Avoid more GTK3-ismsThomas White
2019-06-04cell_explorer: Remove GTK3-ismsThomas White
2019-05-29Normalise sampled spectrum weights to total 1Thomas White
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